UCSF

ZINC69778948

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: N-[4-[(2-isopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]thiazol-2-yl]-N-methyl- N-[4-[(2-isopropyl-1-methyl-6,7-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.62 9.49 -45.73 1 6 1 55 348.496 4 ↓
Mid Mid (pH 6-8) 1.62 7.57 -32.63 1 6 1 56 348.496 4 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.